SCHEMBL5388161

SCHEMBL5388161

O=C1CCc2ccccc2N1CCCCN1CCC(c2c[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.58
CHRM1 P11229 4/20 0.58
KCNH2 Q12809 1/20 0.58
DRD4 P21917 4/20 0.56
DRD3 P35462 4/20 0.56
CHRM2 P08172 3/20 0.56
CHRM4 P08173 3/20 0.56
CHRM5 P08912 3/20 0.56
CHRM3 P20309 3/20 0.56
OPRM1 P35372 1/20 0.56
OPRK1 P41145 1/20 0.56
OPRL1 P41146 1/20 0.56
HTR2A P28223 5/20 0.53
HTR7 P34969 5/20 0.53
HTR6 P50406 5/20 0.53
HTR1A P08908 4/20 0.53
SLC6A4 P31645 4/20 0.53
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5385162 0.99 DRD2 (0.57) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL5380399 0.98 DRD2 (0.60) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL5387903 0.89 HTR1A (0.66) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL5389417 0.89 HTR1A (0.65) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL5396144 0.88 HTR1A (0.66) DRD2CHRM1KCNH2DRD4DRD3
SCHEMBL5386750 0.86 OPRM1 (0.55) DRD2CHRM1KCNH2DRD4OPRM1
SCHEMBL5392528 0.84 OPRM1 (0.58) OPRM1OPRK1OPRL1HTR2AHTR7
SCHEMBL5389629 0.84 SLC6A4 (0.65) DRD2CHRM1KCNH2OPRM1OPRK1
SCHEMBL5392499 0.83 OPRM1 (0.57) OPRM1OPRK1OPRL1HTR2AHTR7
SCHEMBL5396316 0.83 DRD2 (0.57) DRD2CHRM1KCNH2DRD4DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294710-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2005-06-08 EP claimed
US-6890916-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-05-10 US claimed
EP-1468996-A1 Indole derivatives for the treatment of CNS disorders H. Lundbeck A/S (DK) 2004-10-20 EP claimed
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-10-09 US claimed
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP claimed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 WO claimed
US-7276508-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2007-10-02 US disclosed
EP-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP disclosed
US-20050176729-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
EP-1294710-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2005-06-08 EP disclosed
US-6890916-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-05-10 US disclosed
EP-1468996-A1 Indole derivatives for the treatment of CNS disorders H. Lundbeck A/S (DK) 2004-10-20 EP disclosed
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-10-09 US disclosed
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP disclosed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176729-A1 Indole derivatives useful for the treatment of CNS disorders HTR4, TPH1, SLC6A3 DRD2 14/4885CHRM1 69/4885KCNH2 1136/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 DRD2 47/4885CHRM1 2/4885KCNH2 282/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.